General Information of the Compound
| Compound ID |
CP0553413
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| Compound Name |
N-[[(2R)-1-[4-(benzylamino)-6-(but-3-enylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H30F3N7O2S
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| Molecular Weight |
561.634
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2ccccc2)n1
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| InChI |
InChI=1S/C26H30F3N7O2S/c1-2-3-15-30-23-33-24(31-17-19-8-5-4-6-9-19)35-25(34-23)36-16-7-10-21(36)18-32-39(37,38)22-13-11-20(12-14-22)26(27,28)29/h2,4-6,8-9,11-14,21,32H,1,3,7,10,15-18H2,(H2,30,31,33,34,35)/t21-/m1/s1
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| InChIKey |
ANPQGEBKVXKBPJ-OAQYLSRUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound